Vitas-M small molecule compound
diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(3,4-dimethoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK407311
SMILES CCOC(=O)C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1cc2OCOc2cc1Br)C(=O)OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H28BrNO8 MW 574.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO8/c1-5-34-26(30)18-13-29(12-16-7-8-21(32-3)22(9-16)33-4)14-19(27(31)35-6-2)25(18)17-10-23-24(11-20(17)28)37-15-36-23/h7-11,13-14,25H,5-6,12,15H2,1-4H3InChIKey
JBKBRUQDSMBRIH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OCC)CC4=CC(=C(C=C4)OC)OC
DIETHYL4(6BROMO13BENZODIOXOL5YL)1((34DIMETHOXYPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(6bromo13benzodioxol5yl)1(34dimethoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL1((34DIMETHOXYPHENYL)METHYL)4(6BROMO(2HBENZO(D)13DIOXOLEN5YL))5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC27H28BrNO8c153426(30)181329(12167821(323)22(916)334)1419(27(31)3562)25(18)17102324(1120(17)28)37153623h711131425H561215H214H3
MFCD04056974
ZINC000002805655
ZINC2805655
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